苯基乙基 beta-D-硫代半乳糖吡喃糖苷 | 800376-82-3
苯基乙基 beta-D-硫代半乳糖吡喃糖苷
Phenylethyl b-D-Thiogalactopyranoside
800376-82-3
C14H20O5S
300.3706
名称和标识符
InChIKey |
ZNAMMSOYKPMPGC-HTOAHKCRSA-N |
Inchi |
InChI=1S/C14H20O5S/c15-8-10-11(16)12(17)13(18)14(19-10)20-7-6-9-4-2-1-3-5-9/h1-5,10-18H,6-8H2/t10-,11+,12+,13-,14+/m1/s1 |
SMILES |
C1C=CC(CCS[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)=CC=1 |
别名信息
- 中文别名 -
- 苯基乙基 beta-D-硫代半乳糖吡喃糖苷
- beta-d-硫代半乳糖吡喃糖苷苯乙酯
- 苯乙基-Β-1-硫代-D-吡喃半乳糖苷
- 英文别名 -
- Phenylethyl beta-D-thiogalactopyranoside
- 2-Phenylethyl β-D-thiogalactopyranoside
- PHENETHYL-1-THIO- ß-D-GLUCOPYRANOSIDE (PETGLC)
- 2-Phenylethyl 5-thio-β-D-glucopyranoside
- LogP
- Phenethyl-1-thio-Glucoside (PETG)
- β-D-Glucopyranoside, 2-phenylethyl 5-thio-
- HY-137201
- 2-Phenylethyl beta -D-thiogalactoside
- A-D-thiogalactoside
- CS-0137031
- BATE-D-Galactopyranoside, 2-phenylethyl 1-thio-
- 2-Phenylethyl
- 2-Phenylethyl 1-thio-beta-D-glucopyranoside
- (2R,3R,4S,5R,6S)-2-(Hydroxymethyl)-6-(phenethylthio)tetrahydro-2H-pyran-3,4,5-triol
- MFCD00467904
- SCHEMBL1131614
- A-D-Galactopyranoside, 2-phenylethyl 1-thio-
- Q27464580
- PETG
- (2R,3R,4S,5R,6S)-2-(hydroxymethyl)-6-(2-phenylethylsulfanyl)oxane-3,4,5-triol
- 800376-82-3
- 2-Phenylethyl-beta-D-thiogalactoside
- PTQ
- (2R,3R,4S,5R,6S)-2-(HYDROXYMETHYL)-6-[(2-PHENYLETHYL)SULFANYL]OXANE-3,4,5-TRIOL
- 2-Phenylethyl-I(2)-D-thiogalactoside
- 2-Phenylethyl 1-Thio-Beta-D-Galactopyranoside
- 2-Phenylethyl beta-D-thiogalactoside
- 63407-54-5
物化性质
实验特性
LogP |
-0.23780 |
PSA |
115.45000 |
折射率 |
1.638 |
沸点 |
486.887°C at 760 mmHg |
闪点 |
248.26°C |
密度 |
1.392 |
计算特性
精确分子量 |
300.10314491g/mol |
氢键供体数量 |
4 |
氢键受体数量 |
6 |
可旋转化学键数量 |
5 |
同位素质量 |
300.10314491g/mol |
重原子数量 |
20 |
复杂度 |
285 |
同位素原子数量 |
0 |
确定原子立构中心数量 |
5 |
不确定原子立构中心数量 |
0 |
确定化学键立构中心数量 |
0 |
不确定化学键立构中心数量 |
0 |
共价键单元数量 |
1 |
疏水参数计算参考值(XlogP) |
0.7 |
拓扑分子极性表面积 |
115Ų |
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